1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol

C11H18N2O3S — CID 165480160

IUPAC1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol
SMILESCC1(O)CCCCC1n1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C11H18N2O3S/c1-11(14)6-4-3-5-10(11)13-8-9(7-12-13)17(2,15)16/h7-8,10,14H,3-6H2,1-2H3
InChIKeyFVRODFQOZKEQOW-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.15
Rot. Bonds2

About 1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol

1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol (PubChem CID 165480160) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol
PubChem CID165480160
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol
SMILESCC1(O)CCCCC1n1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C11H18N2O3S/c1-11(14)6-4-3-5-10(11)13-8-9(7-12-13)17(2,15)16/h7-8,10,14H,3-6H2,1-2H3
InChIKeyFVRODFQOZKEQOW-UHFFFAOYSA-N
XLogP1.15
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol (CID 165480160) is 1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol is CC1(O)CCCCC1n1cc(S(C)(=O)=O)cn1.
What is the InChIKey of 1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is FVRODFQOZKEQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-11(14)6-4-3-5-10(11)13-8-9(7-12-13)17(2,15)16/h7-8,10,14H,3-6H2,1-2H3.
What are the key properties of 1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol?
1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 258.34 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 165480160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).